Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ASP 32.A OD1 no hydrogen 2.935 N/A ASN 6.A ND2 TYR 30.A O no hydrogen 2.903 N/A ARG 7.A N VAL 4.A O no hydrogen 3.105 N/A ARG 7.A NE ASP 190.A O no hydrogen 2.858 N/A ARG 7.A NH1 LEU 218.A O no hydrogen 2.848 N/A ARG 7.A NH2 LEU 186.A O no hydrogen 3.069 N/A ARG 7.A NH2 ALA 189.A O no hydrogen 2.840 N/A LEU 8.A N MET 5.A O no hydrogen 3.294 N/A ILE 9.A N ILE 192.A O no hydrogen 2.807 N/A LEU 10.A N THR 33.A O no hydrogen 3.249 N/A ALA 11.A N VAL 194.A O no hydrogen 2.869 N/A MET 12.A N LYS 35.A O no hydrogen 2.986 N/A ARG 17.A N GLU 44.A OE2 no hydrogen 2.928 N/A ARG 17.A NE GLU 44.A OE1 no hydrogen 3.216 N/A ARG 17.A NH1 GLU 51.A OE1 no hydrogen 2.530 N/A ARG 17.A NH2 GLU 44.A OE1 no hydrogen 3.197 N/A ASP 19.A N ASN 16.A OD1 no hydrogen 2.865 N/A ALA 20.A N ASN 16.A O no hydrogen 2.846 N/A LEU 21.A N ARG 17.A O no hydrogen 2.925 N/A ARG 22.A N ASP 18.A O.A no hydrogen 2.970 N/A ARG 22.A N ASP 18.A O.B no hydrogen 2.987 N/A ARG 22.A NH1 ASP 19.A OD1 no hydrogen 2.853 N/A VAL 23.A N ASP 19.A O no hydrogen 2.931 N/A THR 24.A N ALA 20.A O no hydrogen 3.023 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.770 N/A GLY 25.A N LEU 21.A O no hydrogen 2.947 N/A GLU 26.A N ARG 22.A O no hydrogen 2.996 N/A VAL 27.A N VAL 23.A O no hydrogen 3.281 N/A VAL 27.A N THR 24.A O no hydrogen 3.189 N/A ARG 28.A N GLY 25.A O no hydrogen 3.375 N/A TYR 30.A N VAL 27.A O no hydrogen 2.843 N/A THR 33.A OG1 ASP 32.A OD1 no hydrogen 2.843 N/A VAL 34.A N ARG 59.A O no hydrogen 2.945 N/A LYS 35.A N LEU 10.A O no hydrogen 2.785 N/A LYS 35.A NZ ASP 63.A OD2 no hydrogen 2.633 N/A ILE 36.A N ILE 61.A O no hydrogen 2.899 N/A VAL 41.A N GLY 37.A O no hydrogen 3.072 N/A LEU 42.A N TYR 38.A O no hydrogen 2.826 N/A SER 43.A N LEU 40.A O no hydrogen 3.189 N/A SER 43.A OG PRO 39.A O no hydrogen 2.758 N/A GLU 44.A N LEU 40.A O no hydrogen 2.905 N/A GLY 45.A N VAL 41.A O no hydrogen 2.769 N/A ILE 48.A N GLY 45.A O no hydrogen 3.044 N/A ILE 49.A N MET 46.A O no hydrogen 3.057 N/A GLU 51.A N ASP 47.A O no hydrogen 2.973 N/A PHE 52.A N ILE 48.A O no hydrogen 2.957 N/A ARG 53.A N ILE 49.A O no hydrogen 3.061 N/A ARG 53.A NH1 CYS 58.A O.A no hydrogen 2.657 N/A ARG 53.A NH1 CYS 58.A O.B no hydrogen 2.722 N/A LYS 54.A N ALA 50.A O no hydrogen 3.019 N/A ARG 55.A N GLU 51.A O no hydrogen 2.910 N/A PHE 56.A N PHE 52.A O no hydrogen 2.851 N/A CYS 58.A SG.A PHE 52.A O no hydrogen 3.947 N/A CYS 58.A SG.B ILE 31.A O no hydrogen 3.323 N/A ARG 59.A N ASP 32.A O no hydrogen 2.840 N/A ARG 59.A NH1 ASP 3.A O no hydrogen 2.959 N/A ARG 59.A NH1 ASP 32.A OD1 no hydrogen 3.166 N/A ARG 59.A NH1 THR 33.A OG1 no hydrogen 2.902 N/A ARG 59.A NH2 ASP 3.A O no hydrogen 2.820 N/A ILE 60.A N ASP 86.A OD2 no hydrogen 2.841 N/A ILE 61.A N VAL 34.A O no hydrogen 2.962 N/A ALA 62.A N ALA 87.A O no hydrogen 2.839 N/A ASP 63.A N ILE 36.A O no hydrogen 2.841 N/A LYS 65.A NZ ASP 63.A OD1 no hydrogen 2.773 N/A LYS 65.A NZ ASP 63.A OD2 no hydrogen 2.734 N/A VAL 66.A N ILE 89.A O no hydrogen 3.171 N/A ASP 68.A N ASN 73.A OD1 no hydrogen 2.878 N/A ILE 69.A N ASP 68.A OD2 no hydrogen 2.775 N/A ASN 73.A N ILE 69.A O no hydrogen 2.866 N/A ASN 73.A ND2 SER 98.A O no hydrogen 3.041 N/A GLU 74.A N PRO 70.A O no hydrogen 2.970 N/A LYS 75.A N.A GLU 71.A O no hydrogen 3.421 N/A LYS 75.A N.B GLU 71.A O no hydrogen 3.425 N/A ILE 76.A N THR 72.A O no hydrogen 2.973 N/A CYS 77.A N ASN 73.A O no hydrogen 2.962 N/A CYS 77.A SG ASN 73.A O no hydrogen 3.346 N/A ARG 78.A N GLU 74.A O no hydrogen 2.962 N/A ARG 78.A NH1 GLU 108.A OE1 no hydrogen 3.117 N/A ARG 78.A NH2 GLU 108.A OE2 no hydrogen 2.839 N/A ALA 79.A N LYS 75.A O.A no hydrogen 3.014 N/A ALA 79.A N LYS 75.A O.B no hydrogen 3.054 N/A THR 80.A N ILE 76.A O no hydrogen 3.007 N/A THR 80.A OG1 ILE 76.A O no hydrogen 2.841 N/A PHE 81.A N CYS 77.A O no hydrogen 2.928 N/A LYS 82.A N ARG 78.A O no hydrogen 2.916 N/A ALA 83.A N ALA 79.A O no hydrogen 3.192 N/A ALA 83.A N THR 80.A O no hydrogen 3.239 N/A GLY 84.A N PHE 81.A O no hydrogen 2.946 N/A ALA 85.A N THR 80.A O no hydrogen 3.428 N/A ASP 86.A N ILE 60.A O no hydrogen 2.873 N/A ALA 87.A N ILE 60.A O no hydrogen 3.354 N/A ILE 88.A N GLU 112.A O no hydrogen 2.985 N/A ILE 89.A N ALA 62.A O no hydrogen 2.950 N/A VAL 90.A N.A PHE 114.A O no hydrogen 2.822 N/A VAL 90.A N.B PHE 114.A O no hydrogen 2.817 N/A VAL 90.A N.C PHE 114.A O no hydrogen 2.826 N/A HIS 91.A N VAL 66.A O no hydrogen 2.891 N/A GLY 95.A N GLY 92.A O no hydrogen 2.927 N/A SER 98.A OG ASP 68.A O no hydrogen 2.837 N/A VAL 99.A N GLY 95.A O no hydrogen 3.265 N/A ARG 100.A N ALA 96.A O no hydrogen 2.816 N/A ALA 101.A N ASP 97.A O no hydrogen 3.022 N/A CYS 102.A SG SER 98.A O no hydrogen 3.512 N/A LEU 103.A N VAL 99.A O no hydrogen 2.977 N/A ASN 104.A N ARG 100.A O no hydrogen 2.860 N/A VAL 105.A N ALA 101.A O no hydrogen 3.258 N/A ALA 106.A N CYS 102.A O no hydrogen 2.916 N/A GLU 107.A N LEU 103.A O no hydrogen 2.883 N/A GLU 108.A N ASN 104.A O no hydrogen 3.009 N/A MET 109.A N VAL 105.A O no hydrogen 2.836 N/A GLY 110.A N GLU 107.A O no hydrogen 3.422 N/A ARG 111.A N ALA 106.A O no hydrogen 2.904 N/A ARG 111.A NH1 PHE 81.A O no hydrogen 2.934 N/A ARG 111.A NH1 ALA 85.A O no hydrogen 2.907 N/A GLU 112.A N ASP 86.A O no hydrogen 3.221 N/A PHE 114.A N ILE 88.A O no hydrogen 2.825 N/A LEU 115.A N ASN 146.A O no hydrogen 2.887 N/A ASN 116.A N VAL 90.A O.A no hydrogen 2.978 N/A ASN 116.A N VAL 90.A O.B no hydrogen 2.878 N/A ASN 116.A N VAL 90.A O.C no hydrogen 2.830 N/A THR 117.A N VAL 148.A O no hydrogen 3.115 N/A THR 117.A OG1 VAL 148.A O no hydrogen 2.879 N/A SER 120.A OG GLN 178.A OE1 no hydrogen 2.697 N/A ALA 124.A N HIS 121.A O no hydrogen 2.967 N/A GLU 125.A N PRO 122.A O no hydrogen 3.016 N/A MET 126.A N GLY 123.A O no hydrogen 3.067 N/A GLN 129.A N ALA 124.A O no hydrogen 2.875 N/A GLN 129.A NE2 GLU 118.A OE2 no hydrogen 2.955 N/A ALA 131.A N ILE 128.A O no hydrogen 2.954 N/A ALA 132.A N GLN 129.A O no hydrogen 3.248 N/A ILE 135.A N ALA 131.A O no hydrogen 2.883 N/A ALA 136.A N ALA 132.A O no hydrogen 2.908 N/A ARG 137.A N ASP 133.A O no hydrogen 2.947 N/A MET 138.A N GLU 134.A O no hydrogen 2.799 N/A GLY 139.A N ILE 135.A O no hydrogen 2.895 N/A VAL 140.A N ALA 136.A O no hydrogen 2.959 N/A ASP 141.A N ARG 137.A O no hydrogen 2.890 N/A LEU 142.A N MET 138.A O no hydrogen 2.870 N/A GLY 143.A N VAL 140.A O no hydrogen 3.061 N/A VAL 144.A N GLY 139.A O no hydrogen 2.921 N/A ASN 146.A ND2 GLU 112.A OE2 no hydrogen 3.278 N/A ASN 146.A ND2 VAL 113.A O no hydrogen 3.253 N/A TYR 147.A N PHE 169.A O no hydrogen 2.782 N/A TYR 147.A OH VAL 144.A O no hydrogen 2.761 N/A VAL 148.A N LEU 115.A O no hydrogen 2.906 N/A GLY 149.A N ILE 171.A O no hydrogen 3.116 N/A SER 151.A N PRO 173.A O no hydrogen 2.983 N/A SER 151.A OG THR 185.A OG1 no hydrogen 2.643 N/A THR 152.A OG1 SER 120.A O no hydrogen 2.748 N/A ARG 153.A N PRO 150.A O no hydrogen 3.411 N/A ARG 153.A NH1 GLU 118.A OE2 no hydrogen 2.852 N/A ARG 153.A NH1 MET 119.A O no hydrogen 2.765 N/A ARG 153.A NH2 HIS 121.A O no hydrogen 2.799 N/A GLU 155.A N GLU 155.A OE2 no hydrogen 2.687 N/A ARG 156.A NE GLU 118.A OE1 no hydrogen 2.694 N/A ARG 156.A NH1 ASP 133.A OD1 no hydrogen 3.066 N/A ARG 156.A NH2 GLU 118.A OE1 no hydrogen 3.002 N/A ARG 156.A NH2 ASP 133.A OD1 no hydrogen 2.853 N/A LEU 157.A N ARG 153.A O no hydrogen 2.889 N/A SER 158.A N PRO 154.A O no hydrogen 2.818 N/A ARG 159.A N GLU 155.A O no hydrogen 3.108 N/A ARG 159.A NH1 GLU 162.A OE1 no hydrogen 2.866 N/A LEU 160.A N.A ARG 156.A O no hydrogen 2.913 N/A LEU 160.A N.B ARG 156.A O no hydrogen 2.923 N/A ARG 161.A N LEU 157.A O no hydrogen 3.001 N/A ARG 161.A NE PHE 188.A O no hydrogen 2.888 N/A ARG 161.A NH1 GLY 165.A O no hydrogen 2.922 N/A ARG 161.A NH1 SER 168.A O no hydrogen 2.837 N/A ARG 161.A NH2 PHE 188.A O no hydrogen 2.915 N/A ARG 161.A NH2 ASP 190.A OD2 no hydrogen 2.758 N/A GLU 162.A N SER 158.A O no hydrogen 3.091 N/A ILE 163.A N ARG 159.A O no hydrogen 2.994 N/A ILE 164.A N LEU 160.A O.A no hydrogen 3.000 N/A ILE 164.A N LEU 160.A O.B no hydrogen 3.040 N/A GLY 165.A N ARG 161.A O no hydrogen 2.913 N/A GLY 165.A N GLU 162.A O no hydrogen 3.280 N/A SER 168.A OG ILE 164.A O no hydrogen 2.761 N/A PHE 169.A N LYS 145.A O no hydrogen 2.841 N/A LEU 170.A N ASP 190.A OD2 no hydrogen 2.869 N/A ILE 171.A N TYR 147.A O no hydrogen 2.886 N/A SER 172.A N ALA 191.A O no hydrogen 3.023 N/A SER 172.A OG GLY 149.A O no hydrogen 2.845 N/A GLY 176.A N GLY 180.A O no hydrogen 3.043 N/A GLY 179.A N GLY 176.A O no hydrogen 2.885 N/A GLY 180.A N GLY 174.A O no hydrogen 2.817 N/A GLU 184.A N ASP 181.A OD2 no hydrogen 2.908 N/A THR 185.A N ASP 181.A O no hydrogen 2.943 N/A THR 185.A OG1 SER 151.A OG no hydrogen 2.643 N/A THR 185.A OG1 ASP 181.A O no hydrogen 2.608 N/A LEU 186.A N PRO 182.A O no hydrogen 3.053 N/A ARG 187.A N GLU 184.A O no hydrogen 3.177 N/A ARG 187.A NE GLU 184.A O no hydrogen 3.003 N/A PHE 188.A N THR 185.A O no hydrogen 3.026 N/A ALA 189.A N THR 185.A O no hydrogen 2.942 N/A ASP 190.A N LEU 170.A O no hydrogen 2.709 N/A ALA 191.A N LEU 170.A O no hydrogen 3.357 N/A ILE 192.A N ARG 7.A O no hydrogen 2.972 N/A ILE 193.A N SER 172.A O no hydrogen 2.823 N/A VAL 194.A N ILE 9.A O no hydrogen 2.896 N/A ILE 198.A N GLY 195.A O no hydrogen 2.890 N/A TYR 199.A N GLY 195.A O no hydrogen 2.913 N/A LEU 200.A N ARG 196.A O no hydrogen 3.013 N/A ALA 201.A N ILE 198.A O no hydrogen 3.163 N/A ALA 206.A N ASN 203.A OD1 no hydrogen 3.103 N/A ALA 207.A N ASN 203.A O no hydrogen 2.983 N/A ALA 208.A N PRO 204.A O no hydrogen 2.894 N/A ALA 209.A N ALA 205.A O no hydrogen 2.876 N/A GLY 210.A N ALA 206.A O no hydrogen 2.903 N/A ILE 211.A N ALA 207.A O no hydrogen 3.001 N/A ILE 212.A N ALA 208.A O no hydrogen 2.956 N/A GLU 213.A N ALA 209.A O no hydrogen 2.830 N/A SER 214.A N GLY 210.A O no hydrogen 3.196 N/A SER 214.A OG ILE 211.A O no hydrogen 2.560 N/A ILE 215.A N ILE 212.A O no hydrogen 3.146 N/A LYS 216.A N GLU 213.A O no hydrogen 3.412 N/A LEU 218.A N ILE 215.A O no hydrogen 2.825 N/A LEU 219.A N LYS 216.A O no hydrogen 3.303 N/A